lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid

C5H10LiNO5 — CID 174961649

IUPAClithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid
SMILESCNC(O)(CC(=O)O)C(=O)O.[H-].[Li+]
InChIInChI=1S/C5H9NO5.Li.H/c1-6-5(11,4(9)10)2-3(7)8;;/h6,11H,2H2,1H3,(H,7,8)(H,9,10);;/q;+1;-1
InChIKeyJKAJFVGELHVVCN-UHFFFAOYSA-N
MW171.08 g/mol
LogP-4.43
Rot. Bonds4

About lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid

lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid (PubChem CID 174961649) has the molecular formula C5H10LiNO5 and a molecular weight of 171.08 g/mol. Its IUPAC name is lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid.

Molecular Properties

Compound Namelithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid
PubChem CID174961649
Molecular FormulaC5H10LiNO5
Molecular Weight171.08 g/mol
Exact Mass171.07
IUPAC Namelithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid
SMILESCNC(O)(CC(=O)O)C(=O)O.[H-].[Li+]
InChIInChI=1S/C5H9NO5.Li.H/c1-6-5(11,4(9)10)2-3(7)8;;/h6,11H,2H2,1H3,(H,7,8)(H,9,10);;/q;+1;-1
InChIKeyJKAJFVGELHVVCN-UHFFFAOYSA-N
XLogP-4.43
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.08
LogP ≤ 5-4.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
2-hydroxy-2-(prop-2-enoylamino)butanedioic acid
CID 135376511
lithium;potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173039774
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propanedioic acid
CID 162128666
3-amino-3,4-bis(carboxymethyl)-4-(methylamino)hexanedioic acid
CID 18954505
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
trimagnesium;carbonic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173041286
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
CID 173003621
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid?
The IUPAC name of lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid (CID 174961649) is lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid.
What is the SMILES notation for lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid?
The canonical SMILES for lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid is CNC(O)(CC(=O)O)C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid?
The InChIKey is JKAJFVGELHVVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5.Li.H/c1-6-5(11,4(9)10)2-3(7)8;;/h6,11H,2H2,1H3,(H,7,8)(H,9,10);;/q;+1;-1.
What are the key properties of lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid?
lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid has a molecular weight of 171.08 g/mol, XLogP of -4.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid is sourced from PubChem (CID 174961649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).